CID 15590168

3-isopropyl-2-methoxy-5-methylpyrazine

Structural Information

Molecular Formula
C9H14N2O
SMILES
CC1=CN=C(C(=N1)C(C)C)OC
InChI
InChI=1S/C9H14N2O/c1-6(2)8-9(12-4)10-5-7(3)11-8/h5-6H,1-4H3
InChIKey
NCKFIUKGRGDXBF-UHFFFAOYSA-N
Compound name
2-methoxy-5-methyl-3-propan-2-ylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

166.11061 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.11789 135.5
[M+Na]+ 189.09983 144.6
[M-H]- 165.10333 136.9
[M+NH4]+ 184.14443 154.0
[M+K]+ 205.07377 143.5
[M+H-H2O]+ 149.10787 128.5
[M+HCOO]- 211.10881 156.7
[M+CH3COO]- 225.12446 181.9
[M+Na-2H]- 187.08528 141.2
[M]+ 166.11006 138.1
[M]- 166.11116 138.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe